ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate

C11H21NO3 — CID 66562087

IUPACethyl 4-(diethylamino)-3-methyl-4-oxobutanoate
SMILESCCOC(=O)CC(C)C(=O)N(CC)CC
InChIInChI=1S/C11H21NO3/c1-5-12(6-2)11(14)9(4)8-10(13)15-7-3/h9H,5-8H2,1-4H3
InChIKeyRMWYOHHEVGQELV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds6

About ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate

ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate (PubChem CID 66562087) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(diethylamino)-3-methyl-4-oxobutanoate
PubChem CID66562087
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 4-(diethylamino)-3-methyl-4-oxobutanoate
SMILESCCOC(=O)CC(C)C(=O)N(CC)CC
InChIInChI=1S/C11H21NO3/c1-5-12(6-2)11(14)9(4)8-10(13)15-7-3/h9H,5-8H2,1-4H3
InChIKeyRMWYOHHEVGQELV-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate?
The IUPAC name of ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate (CID 66562087) is ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate?
The canonical SMILES for ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate is CCOC(=O)CC(C)C(=O)N(CC)CC.
What is the InChIKey of ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate?
The InChIKey is RMWYOHHEVGQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-12(6-2)11(14)9(4)8-10(13)15-7-3/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate?
ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate is sourced from PubChem (CID 66562087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).